6-(naphthalen-1-ylmethylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(naphthalen-1-ylmethylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1-naphthylmethylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1-naphthalenylmethylthio)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(naphthalen-1-ylmethylsulfanyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(1-naphthylmethylthio)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H16N4OS MolecularWeight: 384.45364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H16N4OS/c27-21-19-13-23-26(17-10-2-1-3-11-17)20(19)24-22(25-21)28-14-16-9-6-8-15-7-4-5-12-18(15)16/h1-13,23H,14H2